N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine

C13H14N4S2 — CID 43230170

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NCc3cnn(C)c3)cc2s1
InChIInChI=1S/C13H14N4S2/c1-17-8-9(7-15-17)6-14-10-3-4-11-12(5-10)19-13(16-11)18-2/h3-5,7-8,14H,6H2,1-2H3
InChIKeyHIMANMDLUSGKET-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.36
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine

N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine (PubChem CID 43230170) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
PubChem CID43230170
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NCc3cnn(C)c3)cc2s1
InChIInChI=1S/C13H14N4S2/c1-17-8-9(7-15-17)6-14-10-3-4-11-12(5-10)19-13(16-11)18-2/h3-5,7-8,14H,6H2,1-2H3
InChIKeyHIMANMDLUSGKET-UHFFFAOYSA-N
XLogP3.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 60788689
2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 107685421
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682750
N-[(5-bromothiophen-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682780
N-(2,2-dimethoxyethyl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 55233662
N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 63426862
2-methylsulfanyl-N-pentyl-1,3-benzothiazol-6-amine
CID 43228519
2-methylsulfanyl-N-(4-methylsulfanylbutyl)-1,3-benzothiazol-6-amine
CID 103087444
4-chloro-2-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682810
N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 149152255
N-(1-methylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 62976149
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine (CID 43230170) is N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine is CSc1nc2ccc(NCc3cnn(C)c3)cc2s1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The InChIKey is HIMANMDLUSGKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-17-8-9(7-15-17)6-14-10-3-4-11-12(5-10)19-13(16-11)18-2/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine has a molecular weight of 290.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43230170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).